Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Pantetheinase' and Ligand = 'BDBM475866'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Pantetheinase (Homo sapiens (Human))	BDBM475866 (US10864201, Ex. 5.5) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2N[C@](C)(Cc2c1)c1ccc(F)cc1)c1ncccn1 |r| Show InChI InChI=1S/C24H25FN6O/c1-24(18-4-6-19(25)7-5-18)13-16-12-17(14-28-21(16)29-24)22(32)31-11-8-20(15-31)30(2)23-26-9-3-10-27-23/h3-7,9-10,12,14,20H,8,11,13,15H2,1-2H3,(H,28,29)/t20-,24+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The test compounds are dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed by...				US Patent US10864201 (2020) BindingDB Entry DOI: 10.7270/Q20K2CN9
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